Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | CES2 | O00748 | 3/20 | 0.47 |
| ▸ | CES1 | P23141 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | ALPG | P10696 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29291314 | 0.89 | LMNA (0.59) | LMNACES2CES1ALDH1A1SMN1; SMN2 | |
| SCHEMBL29291311 | 0.85 | CES2 (0.47) | NPC1LMNACES2CES1ALDH1A1 | |
| SCHEMBL29291317 | 0.85 | LMNA (0.46) | LMNACES2CES1ALDH1A1SMN1; SMN2 | |
| SCHEMBL29291318 | 0.82 | CES2 (0.57) | NPC1LMNACES2CES1SMN1; SMN2 | |
| SCHEMBL29291321 | 0.81 | MAPT (0.56) | NPC1LMNACES2CES1ALDH1A1 | |
| SCHEMBL28756606 | 0.80 | NPC1 (0.51) | NPC1LMNACES2CES1ALDH1A1 | |
| SCHEMBL4020285 | 0.80 | CES2 (0.74) | NPC1LMNACES2CES1ALDH1A1 | |
| SCHEMBL29291313 | 0.80 | CES1 (0.53) | NPC1LMNACES2CES1ALDH1A1 | |
| Benzoin SCHEMBL6201105 | 0.79 | CES2 (0.78) | NPC1LMNACES2CES1ALDH1A1 | |
| SCHEMBL13431736 | 0.78 | NPC1 (0.53) | NPC1LMNACES2CES1ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109734571-B | Method for synthesizing alpha-F-beta-OH-carbonyl compound | 浙江工业大学 | 2021-11-30 | — | — | CN | disclosed |